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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20N4O3
Molecular Weight 376.4085
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)BENZOIC ACID

SMILES

OC(=O)C1=CC=C(C=C1)C2=CC=NC(NC3=CC=C(C=C3)N4CCOCC4)=N2

InChI

InChIKey=VYXONEXRZMHYRY-UHFFFAOYSA-N
InChI=1S/C21H20N4O3/c26-20(27)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)25-11-13-28-14-12-25/h1-10H,11-14H2,(H,26,27)(H,22,23,24)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)BENZOIC ACID
Systematic Name English
MOMELOTINIB METABOLITE M19
Preferred Name English
4-(2-(4-MORPHOLINOPHENYLAMINO)PYRIMIDIN-4-YL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
TV28NF837I
Created by admin on Wed Apr 02 05:15:38 GMT 2025 , Edited by admin on Wed Apr 02 05:15:38 GMT 2025
PRIMARY
PUBCHEM
57990820
Created by admin on Wed Apr 02 05:15:38 GMT 2025 , Edited by admin on Wed Apr 02 05:15:38 GMT 2025
PRIMARY
CAS
945749-71-3
Created by admin on Wed Apr 02 05:15:38 GMT 2025 , Edited by admin on Wed Apr 02 05:15:38 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of MOMELOTINIB
NIH
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